8018-5757 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one

8018-5757 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one
8018-5757 Screening compound: 4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5757
4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8018-5757

Molecular Formula

C16H12ClNO4 (C16 H12 ClNO4)

Compound Name

4-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-[(2H-13-benzodioxol-5-yl)methyl]-6-chloro-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C1N(Cc(cc2)cc3c2OCO3)c(cc(cc2)Cl)c2OC1

InChI

InChI=1S/C16H12ClNO4/c17-11-2-4-13-12(6-11)18(16(19)8-20-13)7-10-1-3-14-15(5-10)22-9-21-14/h1-6H,7-9H2

InChI Key

OWUMNDLUYKBJTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07437738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

3.209

Water Solubility, LogSw

-3.34

Polar Surface Area

41.184

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

-4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8018-5757 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-5757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5757?
Check Price and Availability of 8018-5757, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-5757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5757
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8018-5757 available by request